SCHEMBL1121867

SCHEMBL1121867

O=C(CN1CC(CS(=O)(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.43
HTR2C P28335 2/20 0.43
KCNH2 Q12809 2/20 0.43
DRD2 P14416 2/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
KMT2A Q03164 1/20 0.35
EIF4H Q15056 1/20 0.35
GRIN2B Q13224 1/20 0.35
CRBN Q96SW2 1/20 0.34
USP14 P54578 1/20 0.34
USP7 Q93009 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1121699 0.87 HTR2A (0.43) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL1121885 0.87 GAA (0.47) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL1121720 0.86 HTR2A (0.43) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL1121845 0.83 SMN1; SMN2 (0.42) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL1121996 0.81 HTR2A (0.52) HTR2AHTR2CKCNH2DRD2GAA
SCHEMBL1122016 0.81 HTR2A (0.47) HTR2AHTR2CKCNH2GAAKDM4E
SCHEMBL1121714 0.79 ALDH1A1 (0.48) HTR2AHTR2CKCNH2GAAKDM4E
SCHEMBL1121987 0.78 HTR2A (0.58) HTR2AHTR2CKCNH2DRD2GAA
SCHEMBL1121743 0.78 ALDH1A1 (0.47) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL1121785 0.76 HTR2A (0.48) HTR2AHTR2CKCNH2DRD2GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685100-B1 NOVEL 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS MERCK SHARP & DOHME (GB) 2011-02-09 EP disclosed
US-7094777-B2 5-HT2A receptor ligands MERK SHARP & DOHME LTD. 2006-08-22 US disclosed
US-20050101586-A1 Novel 5-HT2A receptor ligands MERCK SHARP & DOHME LTD. (GB) 2005-05-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050101586-A1 Novel 5-HT2A receptor ligands HTR2A, HTR1A, HTR5A HTR2A 1/4885HTR2C 4/4885KCNH2 651/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.